1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol

C10H23NO3S — CID 106989964

IUPAC1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNCCSC
InChIInChI=1S/C10H23NO3S/c1-9(7-13-2)14-8-10(12)6-11-4-5-15-3/h9-12H,4-8H2,1-3H3
InChIKeyZXZQLRRWIFULQF-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.35
Rot. Bonds10

About 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol (PubChem CID 106989964) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
PubChem CID106989964
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNCCSC
InChIInChI=1S/C10H23NO3S/c1-9(7-13-2)14-8-10(12)6-11-4-5-15-3/h9-12H,4-8H2,1-3H3
InChIKeyZXZQLRRWIFULQF-UHFFFAOYSA-N
XLogP0.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(hex-5-ynylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106211311
N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
CID 106989516
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
CID 106990049
1-(1-methoxypropan-2-yloxy)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 106989577
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 106990337
1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol (CID 106989964) is 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol is COCC(C)OCC(O)CNCCSC.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol?
The InChIKey is ZXZQLRRWIFULQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(7-13-2)14-8-10(12)6-11-4-5-15-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol has a molecular weight of 237.36 g/mol, XLogP of 0.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol is sourced from PubChem (CID 106989964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).